(3S)-N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[2-(3-methoxyanilino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[2-keto-2-(m-anisidino)ethyl]nipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-29-18-9-5-8-17(13-18)23-20(25)14-22-21(26)16-7-6-12-24(15-16)30(27,28)19-10-3-2-4-11-19/h2-5,8-11,13,16H,6-7,12,14-15H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1